Chemical Properties of «beta»-Alanine, N-(1-naphthoyl)-, hexyl ester

InChI

InChI=1S/C20H25NO3/c1-2-3-4-7-15-24-19(22)13-14-21-20(23)18-12-8-10-16-9-5-6-11-17(16)18/h5-6,8-12H,2-4,7,13-15H2,1H3,(H,21,23)

InChI Key

SCQLMOUMBMYAIB-UHFFFAOYSA-N

Formula

C20H25NO3

SMILES

CCCCCCOC(=O)CCNC(=O)c1cccc2ccccc12

Molecular Weight¹

327.42

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	53.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-343.91	kJ/mol	Joback Calculated Property
ΔfusH°	47.71	kJ/mol	Joback Calculated Property
ΔvapH°	87.03	kJ/mol	Joback Calculated Property
log10WS	-5.83		Crippen Calculated Property
logPoct/wat	4.083		Crippen Calculated Property
McVol	268.430	ml/mol	McGowan Calculated Property
Pc	1659.19	kPa	Joback Calculated Property
Inp	[2884.00; 2884.00]
Inp	2884.00		NIST
Inp	2884.00		NIST
Tboil	887.97	K	Joback Calculated Property
Tc	1104.54	K	Joback Calculated Property
Tfus	561.55	K	Joback Calculated Property
Vc	1.034	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[831.20; 903.07]	J/mol×K	[887.97; 1104.54]
Cp,gas	831.20	J/mol×K	887.97	Joback Calculated Property
Cp,gas	845.44	J/mol×K	924.07	Joback Calculated Property
Cp,gas	858.68	J/mol×K	960.16	Joback Calculated Property
Cp,gas	871.00	J/mol×K	996.26	Joback Calculated Property
Cp,gas	882.46	J/mol×K	1032.35	Joback Calculated Property
Cp,gas	893.12	J/mol×K	1068.45	Joback Calculated Property
Cp,gas	903.07	J/mol×K	1104.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-(1-naphthoyl)-, hexyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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